@MOLECULE 4,5-diaminopyrimidine-2-thiol 15 15 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 S -2.8198 -0.1895 0.0018 S.2 1 UNL1 -0.3623 2 N -0.3160 -0.9594 -0.0018 N.ar 1 UNL1 -0.5206 3 N 1.8621 -1.8813 -0.0018 N.pl3 1 UNL1 -0.5921 4 N -0.6700 1.4102 -0.0022 N.ar 1 UNL1 -0.4642 5 N 2.9953 0.6727 0.0035 N.pl3 1 UNL1 -0.5937 6 C 1.0560 -0.7806 0.0001 C.ar 1 UNL1 0.4671 7 C 1.5728 0.5375 0.0001 C.ar 1 UNL1 -0.2347 8 C 0.6433 1.5994 -0.0018 C.ar 1 UNL1 0.1566 9 C -1.2087 0.1595 -0.0011 C.ar 1 UNL1 0.4385 10 H -0.7169 -1.9008 -0.0030 H 1 UNL1 0.3368 11 H 0.9811 2.6468 -0.0026 H 1 UNL1 0.1800 12 H 2.8628 -1.7354 0.0040 H 1 UNL1 0.3471 13 H 1.5169 -2.8147 0.0064 H 1 UNL1 0.3130 14 H 3.3337 1.1445 -0.8242 H 1 UNL1 0.2643 15 H 3.3286 1.1559 0.8267 H 1 UNL1 0.2643 @BOND 1 14 5 1 2 10 2 1 3 11 8 1 4 4 8 ar 5 4 9 ar 6 3 6 1 7 3 12 1 8 3 13 1 9 8 7 ar 10 2 9 ar 11 2 6 ar 12 9 1 2 13 7 6 ar 14 7 5 1 15 5 15 1